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(2S,3S,4S,5S)-3,4-dicyano-1-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-5-phenyl-2-pyrrolidinecarboxylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(2S,3S,4S,5S)-3,4-dicyano-1-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-5-phenyl-2-pyrrolidinecarboxylic acid methyl ester
SpectraBase Compound ID BGxZE0gIb6O
InChI InChI=1S/C26H27N3O4/c1-26(2)32-16-21(24(33-26)18-12-8-5-9-13-18)29-22(17-10-6-4-7-11-17)19(14-27)20(15-28)23(29)25(30)31-3/h4-13,19-24H,16H2,1-3H3/t19-,20-,21-,22+,23-,24-/m0/s1
InChIKey MEKHFQYPUHJUEW-WMGXJHCHSA-N
Mol Weight 445.52 g/mol
Molecular Formula C26H27N3O4
Exact Mass 445.200156 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C4bjEzxMt8A
Name (2S,3S,4S,5S)-3,4-dicyano-1-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-5-phenyl-2-pyrrolidinecarboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H27N3O4
InChI InChI=1S/C26H27N3O4/c1-26(2)32-16-21(24(33-26)18-12-8-5-9-13-18)29-22(17-10-6-4-7-11-17)19(14-27)20(15-28)23(29)25(30)31-3/h4-13,19-24H,16H2,1-3H3/t19-,20-,21-,22+,23-,24-/m0/s1
InChIKey MEKHFQYPUHJUEW-WMGXJHCHSA-N
Molecular Weight 445.519 g/mol
SMILES [C@]1(N2[C@@]([C@@](C#N)([C@@]([C@]2(c2ccccc2)[H])(C#N)[H])[H])(C(=O)OC)[H])([C@@](OC(OC1)(C)C)(c1ccccc1)[H])[H]
SPLASH splash10-00di-1090000000-4d05e1c4fc217fab75cd
Source of Spectrum F-54-10741-4
Synonyms (2S,3S,4S,5S)-3,4-dicyano-1-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-5-phenyl-pyrrolidine-2-carboxylic acid methyl ester Methyl (2S,3S,4S,5S)-3,4-dicyano-1-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-5-phenyl-pyrrolidine-2-carboxylate
Wiley ID 808661